7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine

C21H19FN4O — CID 11581315

IUPAC7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(Oc3ccc(F)cc3)nc(-c3ccccc3)nc12
InChIInChI=1S/C21H19FN4O/c1-3-7-17-18-19(26(2)25-17)21(27-16-12-10-15(22)11-13-16)24-20(23-18)14-8-5-4-6-9-14/h4-6,8-13H,3,7H2,1-2H3
InChIKeyUJMXETGYAKDFLC-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.91
Rot. Bonds5

About 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine

7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 11581315) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
PubChem CID11581315
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nn(C)c2c(Oc3ccc(F)cc3)nc(-c3ccccc3)nc12
InChIInChI=1S/C21H19FN4O/c1-3-7-17-18-19(26(2)25-17)21(27-16-12-10-15(22)11-13-16)24-20(23-18)14-8-5-4-6-9-14/h4-6,8-13H,3,7H2,1-2H3
InChIKeyUJMXETGYAKDFLC-UHFFFAOYSA-N
XLogP4.91
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine (CID 11581315) is 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine is CCCc1nn(C)c2c(Oc3ccc(F)cc3)nc(-c3ccccc3)nc12.
What is the InChIKey of 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is UJMXETGYAKDFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-3-7-17-18-19(26(2)25-17)21(27-16-12-10-15(22)11-13-16)24-20(23-18)14-8-5-4-6-9-14/h4-6,8-13H,3,7H2,1-2H3.
What are the key properties of 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine?
7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 362.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 11581315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).